SCHEMBL988385

SCHEMBL988385

C[SiH](C)c1ccccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 1/20 0.42
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KIF11 P52732 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALOX12 P18054 2/20 0.34
HSD17B10 Q99714 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28179750 0.78 IDO1 (0.41) ALDH1A1TDP1TSHRKIF11RXRA
SCHEMBL272815 0.78 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL450655 0.78 TDP1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL17138351 0.78 TDP1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL3298464 0.76 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL2102113 0.75 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL2101133 0.75 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL5000032 0.75 TDP1 (0.41) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL3679277 0.74 CA2 (0.39) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL29355273 0.74 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2GABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275427-B1 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO PERFUMERY CO LTD (JP) 2013-09-11 EP disclosed
US-8404879-B2 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-26 US disclosed
EP-2258707-B1 Ruthenium silyl-arene complexes, and method for production thereof TAKASAGO PERFUMERY CO LTD (JP) 2013-03-06 EP disclosed
US-7880025-B2 complexing trimethyl(4-methyl-1,4-cyclohexadienyl)silane with ruthenium chloride to produce RuCl2 [trimethyl (4-methyl-1,4-cyclohexadienyl) silane] TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-01 US disclosed
EP-2275427-A1 Ruthenium-diamine complex and methods for producing optically active compounds Takasago International Corporation (JP) 2011-01-19 EP disclosed
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-01-13 US disclosed
EP-2258707-A1 Ruthenium silyl-arene complexes, and method for production thereof Takasago International Corporation (JP) 2010-12-08 EP disclosed
US-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF SPR, LSS, SRI ALDH1A1 2369/4885TDP1 4668/4885TSHR 4573/4885
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A ALDH1A1 54/4885TDP1 4230/4885TSHR 2921/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.